SCHEMBL5765145

SCHEMBL5765145

O=C1CCN2c3ccccc3CC2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.51
HTR2A P28223 1/20 0.51
NOTUM Q6P988 4/20 0.50
GAA P10253 4/20 0.44
GFER P55789 2/20 0.44
HTR2B P41595 3/20 0.43
SIGMAR1 Q99720 5/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
OPRD1 P41143 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6945075 0.87 HTR2C (0.55) HTR2CHTR2ANOTUMGAAGFER
SCHEMBL7128885 0.78 KMT2A (0.43) HTR2CHTR2ANOTUMGAAGFER
SCHEMBL6713582 0.76 HTR2C (0.59) HTR2CHTR2ANOTUMHTR2BSIGMAR1
SCHEMBL11833888 0.73 GAA (0.46) HTR2CHTR2ANOTUMGAAGFER
SCHEMBL11705208 0.73 ALDH1A1 (0.56) HTR2CHTR2AGAAGFERHTR2B
SCHEMBL10153943 0.73 HTR2C (0.65) HTR2CHTR2ANOTUMGAAHTR2B
SCHEMBL3723794 0.72 OPRM1 (0.65) HTR2CHTR2ANOTUMGAAGFER
SCHEMBL31343695 0.71 HTR2C (0.46) HTR2CHTR2ANOTUMHTR2BSIGMAR1
SCHEMBL8565348 0.71 GRIN2B (0.53) NOTUMLMNAOPRM1OPRK1OPRL1
SCHEMBL1364392 0.70 HTR2C (0.53) HTR2CHTR2ANOTUMHTR2BSIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B HTR2C 1686/4885HTR2A 1443/4885NOTUM 3532/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A HTR2C 1746/4885HTR2A 1472/4885NOTUM 3683/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A HTR2C 1033/4885HTR2A 1893/4885NOTUM 2516/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.